N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide

C13H18ClFN2O — CID 110833364

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
SMILESCC(C)(CN)NC(=O)CCc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H18ClFN2O/c1-13(2,8-16)17-12(18)6-4-9-3-5-10(14)11(15)7-9/h3,5,7H,4,6,8,16H2,1-2H3,(H,17,18)
InChIKeyPVFFWMZQOHPYFD-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.27
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide

N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide (PubChem CID 110833364) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
PubChem CID110833364
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
SMILESCC(C)(CN)NC(=O)CCc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H18ClFN2O/c1-13(2,8-16)17-12(18)6-4-9-3-5-10(14)11(15)7-9/h3,5,7H,4,6,8,16H2,1-2H3,(H,17,18)
InChIKeyPVFFWMZQOHPYFD-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
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N-(2-cyanopropan-2-yl)-3-(3,4-dichlorophenyl)propanamide
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N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
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N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide (CID 110833364) is N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide is CC(C)(CN)NC(=O)CCc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide?
The InChIKey is PVFFWMZQOHPYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-13(2,8-16)17-12(18)6-4-9-3-5-10(14)11(15)7-9/h3,5,7H,4,6,8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide has a molecular weight of 272.75 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide is sourced from PubChem (CID 110833364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).